新型聚丙烯酸酯类柴油降凝剂分子模型的建立及验证

在前期工作得出的正构烷烃含量与浊点、冷滤点、凝点的定量关系模型基础上，选择柴油降凝剂的基团对柴油降凝剂分子结构进行了设计，得出了设计模型。结果表明，将含氮基团引入柴油降凝剂可以显著提高柴油降凝剂的性能。根据设计模型合成了一系列聚丙烯酸单酯和混合酯柴油降凝剂，并通过对柴油降凝剂的性能测试结果和自行设计的计算程序对设计模型进行了验证，结果表明，从柴油正构烷烃含量对柴油降凝剂的配比进行设计是可行的。     

Case for projectile kinetic energy gain in stopping power studies

Under certain collision conditions, a swift ion projectile colliding with a target will gain rather than lose kinetic energy, contrary to the standard conception of stopping power. In this work, we consider the conditions for such a collision such that the energy loss is negative, that is, that there will be projectile kinetic energy gain. In particular, for a target initially in the ground state we find that the projectile gains kinetic energy only when charge exchange and de‐excitation processes are involved. This occurs when the electron affinity of the projectile is larger than the ionization potential of the target. Consequences of this effect are analyzed. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 94: 215–221, 2003     

沸石中阳离子对氮/氧吸附性能影响的研究进展

基于制氧吸附剂在变压吸附空分制氧工业应用的重要性，从沸石分子筛的氮／氧吸附性能方面，介绍了低硅沸石LSX、钙沸石、锂沸石、锂银沸石等的研究进展。讨论了沸石分子筛骨架结构和其中阳离子的种类、位置、数量与其吸附特性的关系，探讨其在变压吸附空分制氧中的应用前景。     

Concentrations of Active Species in the Flowing Afterglow of a Nitrogen Microwave Plasma

Measurements of nitrogen atom density, by means of NO chemical titration, along with an evaluation of the densities of some excited species N ₂ (B, v=11), N ₂ (B, v=2), N ₂ (C, v=0), and N ₂ ⁺ (B,v=0), by means of a spectroscopic study of some bands of dinitrogen, are achieved along the flowing afterglow of a dinitrogen microwave plasma (2450 MHz) for several pressures. The concentrations obtained are in the following range: [N]10 ⁺¹⁵ , [N ₂ (B, 2)]10 ⁺⁹ –10 ⁺¹⁰ , [N ₂ (B, 11)]10 ⁺⁸ –10 ⁺⁹ , [N ₂ (C, 0)]10 ⁺⁶ –10 ⁺⁷ , [N ₂ ⁺ (B,0)]10 ⁺⁶ -10 ⁺⁸ (cm^-3). From a kinetic study of the formation and decay of excited and charged species, an estimation of N ₂ (A, v), N ₂ (X, v, and N ₂ ⁺ (X) densities can be derived: [N ₂ (A, v)]10 ⁺¹² , [N ₂ (X, v6)]10 ⁺¹⁵ –10 ⁺¹⁶ , [N ₂ (X, v12)]10 ⁺¹⁴ –10 ⁺¹⁵ , [N ₂ ⁺ (X)]10 ⁺¹⁰ (cm ^-3 ).     

Single-Molecule single crystals of isotactic polystyrene

Single-molecule single crystals were grown from amorphous droplets of fractionated isotactic polystyrene. The crystals were analyzed by electron microscopy and electron diffraction. The molecular mass distribution could be matched with a statistical analysis of single-molecule particles (amorphous and crystals). Proof was brought that single molecules of isotactic polystyrene do not reach equilibrium dimensions on crystallization, rather assume the lamellar morphology with chain-folded macroconformation, also known from crystallization of polymolecular crystals. © 1994 John Wiley & Sons, Inc.

1 This article is a US Government work and, as such, is in the public domain in the United States of America. US Government contract No. DE-AC05-840R-21400.

     

Solvothermal Synthesis, Crystal Structure and Electrochemical Property of Complex [Co(p-MBA)2(2,2''-bipy)(H2O)]·(H2O)

One novel complex [Co(p-MBA)2(2,2'-bipy)(H2O)]·(H2O) has been synthesized by the reaction of p-methylbenzoic acid with 2,2'-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P-1 with a=0.70479(14), b=1.1211(2), c=1.6718(3) nm, α=103.806(3), β=90.795(3), γ=104.207(3)°, V=1.2399(4) nm3, Mr=512.41, Dc=1.373 g/cm3, Z=2, F(000)=532, μ=0.733 mm-1, R=0.0432 and wR=0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2'-bipyridine,forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.     

Mesoporous silica nanospheres with the ability of photo-driven releasing sandela 803 for the application to wallpaper

Mesoporous silica nanospheres loaded with sandela 803 (S803@MS-S) are prepared for application to wallpaper. The nano-fragrance has high encapsulation efficiency and property of photo-driven release.     

Investigation of Tomato Plant Defence Response to Tobacco Mosaic Virus by Determination of Methyl Salicylate with SPME-Capillary GC-MS

Headspace SPME was applied to investigation of tomato plant defence response to tobacco mosaic virus (TMV) by determination of compounds emitted from tomato plants at the extraction conditions of 25 °C and 15 min. It was found that TMV-inoculated tomato plant released large amount of methyl salicylate (MeSA) as response to TMV and MeSA concentration changed dramatically with time after inoculation. Gaseous MeSA as a signaling compound could induce in surrounding tomato plants to produce salicylic acid (SA) and synthesize and release MeSA. These results show that MeSA might be an airborne plant-signalling molecule in tomato plant response to TMV. The present method provided low detection limit of 2.0 ng L^–1 and needed little sample preparation time (15 min), so the method makes it easy to find the critical times of tomato plant response to TMV by fast determination of MeSA released from tomato plant.     

XANES Determination of Intraatomic Potentials

A new scheme has been developed for determining the parameters of the local one-electron potential in molecules and solids. The scheme is based on interpretation of the experimental X-ray absorption near edge struucture. The scheme is an extension of the method for solving the inverse problem of XANES theory suggested by one of the authors. In this scheme, oscillator strengths and maximum heights are considered along with the energy and half-width of spectral maxima. The scheme is used for determining the intraatomic potential in the nitrogen molecule.Original Russian Text Copyright © 2004 by Yu. F. Migal and O. M. Kholodova__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 986–989, November–December, 2004.